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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O3S
Molecular Weight 236.287
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-DIMETHYL-2-NAPHTHALENESULFONIC ACID

SMILES

CC1=CC2=CC(C)=C(C=C2C=C1)S(O)(=O)=O

InChI

InChIKey=PFNOGKBMMKWDNT-UHFFFAOYSA-N
InChI=1S/C12H12O3S/c1-8-3-4-10-7-12(16(13,14)15)9(2)6-11(10)5-8/h3-7H,1-2H3,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C12H12O3S
Molecular Weight 236.287
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:48:49 GMT 2023
Edited
by admin
on Sat Dec 16 10:48:49 GMT 2023
Record UNII
EJB7TN773C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6-DIMETHYL-2-NAPHTHALENESULFONIC ACID
Systematic Name English
2-NAPHTHALENESULFONIC ACID, 3,6-DIMETHYL-
Systematic Name English
2,7-DIMETHYLNAPHTHALENE-3-SULFONIC ACID
Systematic Name English
Code System Code Type Description
CAS
474513-42-3
Created by admin on Sat Dec 16 10:48:49 GMT 2023 , Edited by admin on Sat Dec 16 10:48:49 GMT 2023
PRIMARY
PUBCHEM
101323793
Created by admin on Sat Dec 16 10:48:49 GMT 2023 , Edited by admin on Sat Dec 16 10:48:49 GMT 2023
PRIMARY
FDA UNII
EJB7TN773C
Created by admin on Sat Dec 16 10:48:49 GMT 2023 , Edited by admin on Sat Dec 16 10:48:49 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT